SCHEMBL4977006

SCHEMBL4977006

c1nc2c(c(N3CCN(C4CCC4)CC3)n1)CCN(CC1CC1)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.45
HRH1 P35367 1/20 0.45
TLR7 Q9NYK1 4/20 0.41
TLR9 Q9NR96 3/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
CFTR P13569 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
PIK3CA P42336 2/20 0.32
MTOR P42345 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14273287 0.95 HRH3 (0.46) HRH3HRH1TLR7TLR9ALDH1A1
SCHEMBL4978581 0.92 HRH3 (0.42) HRH3HRH1TLR7TLR9ALDH1A1
SCHEMBL4981975 0.92 HRH3 (0.44) HRH3HRH1TLR7TLR9ALDH1A1
SCHEMBL4979635 0.88 HRH3 (0.40) HRH3HRH1TLR7TLR9ALDH1A1
SCHEMBL4974938 0.87 HRH3 (0.46) HRH3HRH1TLR7TLR9ALDH1A1
SCHEMBL4978270 0.87 TLR7 (0.54) HRH3HRH1TLR7TLR9ALDH1A1
SCHEMBL4980317 0.86 TLR7 (0.48) HRH3HRH1TLR7TLR9ALDH1A1
SCHEMBL4978201 0.84 TLR7 (0.42) HRH3HRH1TLR7TLR9ALDH1A1
SCHEMBL4977027 0.84 TLR7 (0.52) HRH3HRH1TLR7TLR9ALDH1A1
SCHEMBL4979734 0.83 TLR7 (0.51) HRH3HRH1TLR7TLR9ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 HRH3 1/4885HRH1 4/4885TLR7 799/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.